N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methylazetidine-2-carboxamide

C13H19N3O — CID 131905864

IUPACN-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methylazetidine-2-carboxamide
SMILESCc1cc(C)nc(CN(C)C(=O)C2CCN2)c1
InChIInChI=1S/C13H19N3O/c1-9-6-10(2)15-11(7-9)8-16(3)13(17)12-4-5-14-12/h6-7,12,14H,4-5,8H2,1-3H3
InChIKeyWWIKNPSBOAHYLU-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.02
Rot. Bonds3

About N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methylazetidine-2-carboxamide

N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methylazetidine-2-carboxamide (PubChem CID 131905864) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methylazetidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methylazetidine-2-carboxamide
PubChem CID131905864
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methylazetidine-2-carboxamide
SMILESCc1cc(C)nc(CN(C)C(=O)C2CCN2)c1
InChIInChI=1S/C13H19N3O/c1-9-6-10(2)15-11(7-9)8-16(3)13(17)12-4-5-14-12/h6-7,12,14H,4-5,8H2,1-3H3
InChIKeyWWIKNPSBOAHYLU-UHFFFAOYSA-N
XLogP1.02
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-cyclopropyl-N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 97147806
4-ethyl-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxamide
CID 114429311
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepane-2-carboxamide
CID 64561642
N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-(oxolan-3-yl)acetamide
CID 131925768
N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70760529
N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 97191951
(2S)-N-methyl-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119681881
2-(dimethylamino)-N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 72872351
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119291382
(2S)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide
CID 103814748
(2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119859306
N-[(5-bromo-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 115159785

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methylazetidine-2-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methylazetidine-2-carboxamide (CID 131905864) is N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methylazetidine-2-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methylazetidine-2-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methylazetidine-2-carboxamide is Cc1cc(C)nc(CN(C)C(=O)C2CCN2)c1.
What is the InChIKey of N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methylazetidine-2-carboxamide?
The InChIKey is WWIKNPSBOAHYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-6-10(2)15-11(7-9)8-16(3)13(17)12-4-5-14-12/h6-7,12,14H,4-5,8H2,1-3H3.
What are the key properties of N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methylazetidine-2-carboxamide?
N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methylazetidine-2-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methylazetidine-2-carboxamide is sourced from PubChem (CID 131905864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).